Molecule ID: mol16696

SMILES: CCN(CC)c1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(C)cc(C)c32)cc1

InChI: InChI=1S/C23H28BF2N3/c1-7-27(8-2)20-11-9-19(10-12-20)21-22-15(3)13-17(5)28(22)24(25,26)29-18(6)14-16(4)23(21)29/h9-14H,7-8H2,1-6H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.20 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization